SCHEMBL562170

SCHEMBL562170

FC(F)(F)c1cc(Cl)nc(C2CCCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 1/20 0.56
GABRB2 P47870 1/20 0.56
TLR8 Q9NR97 2/20 0.44
TACR1 P25103 5/20 0.39
SLC6A4 P31645 5/20 0.39
KCNH2 Q12809 5/20 0.39
PSD A5PKW4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HRH4 Q9H3N8 3/20 0.36
GPR35 Q9HC97 1/20 0.35
MCHR1 Q99705 2/20 0.35
PRKD1 Q15139 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL561532 0.91 GABRA2 (0.46) GABRA2GABRB2TLR8TACR1SLC6A4
SCHEMBL10567415 0.74 PSMB5 (0.41) TLR8PSDL3MBTL1HRH4
SCHEMBL17061916 0.73 TACR1 (0.46) GABRA2GABRB2TLR8TACR1SLC6A4
SCHEMBL561772 0.73 ALDH1A1 (0.40) GABRA2GABRB2TACR1SLC6A4KCNH2
SCHEMBL3564571 0.73 MCHR1 (0.42) GABRA2GABRB2MEN1ALDH1A1GAA
SCHEMBL19771672 0.73 HRH4 (0.41) GABRA2GABRB2TLR8KCNH2PSD
SCHEMBL3214532 0.73 HRH4 (0.41) GABRA2GABRB2TLR8KCNH2PSD
SCHEMBL28282678 0.71 NOS3 (0.46) GABRA2GABRB2TLR8
SCHEMBL3229097 0.71 HRH4 (0.42) GABRA2GABRB2TLR8PSDL3MBTL1
SCHEMBL25405910 0.70 CYP17A1 (0.41) GABRA2GABRB2TLR8TACR1SLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2420492-A1 METHOD FOR PRODUCING 2-HALOGENO-6-SUBSTITUTED-4-TRIFLUOROMETHYLPYRIDINE Ishihara Sangyo Kaisha, Ltd. (JP) 2012-02-22 EP claimed
US-20120035372-A1 METHOD FOR PRODUCING 2-HALOGENO-6-SUBSTITUTED-4-TRIFLUOROMETHYLPYRIDINE ISHIHARA SANGYO KAISHA, LTD. (JP) 2012-02-09 US claimed
EP-2420492-A1 METHOD FOR PRODUCING 2-HALOGENO-6-SUBSTITUTED-4-TRIFLUOROMETHYLPYRIDINE Ishihara Sangyo Kaisha, Ltd. (JP) 2012-02-22 EP disclosed
US-20120035372-A1 METHOD FOR PRODUCING 2-HALOGENO-6-SUBSTITUTED-4-TRIFLUOROMETHYLPYRIDINE ISHIHARA SANGYO KAISHA, LTD. (JP) 2012-02-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120035372-A1 METHOD FOR PRODUCING 2-HALOGENO-6-SUBSTITUTED-4-TRIFLUOROMETHYLPYRIDINE RDX, CYP4X1, BRIX1 GABRA2 1224/4885GABRB2 1854/4885TLR8 2499/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.